N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide

C18H18ClN3O — CID 3701693

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
SMILESCC(C)C(NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H18ClN3O/c1-11(2)16(17-20-14-5-3-4-6-15(14)21-17)22-18(23)12-7-9-13(19)10-8-12/h3-11,16H,1-2H3,(H,20,21)(H,22,23)
InChIKeyFTBYVQFJHLESQB-UHFFFAOYSA-N
MW327.81 g/mol
LogP4.34
Rot. Bonds4

About N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide (PubChem CID 3701693) has the molecular formula C18H18ClN3O and a molecular weight of 327.81 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
PubChem CID3701693
Molecular FormulaC18H18ClN3O
Molecular Weight327.81 g/mol
Exact Mass327.11
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
SMILESCC(C)C(NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H18ClN3O/c1-11(2)16(17-20-14-5-3-4-6-15(14)21-17)22-18(23)12-7-9-13(19)10-8-12/h3-11,16H,1-2H3,(H,20,21)(H,22,23)
InChIKeyFTBYVQFJHLESQB-UHFFFAOYSA-N
XLogP4.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-cyanobenzamide
CID 51158118
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide
CID 4779807
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-chloro-2-methoxybenzamide
CID 95248304
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474627
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,4-dichloro-5-fluorobenzamide
CID 134059923
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 16596277
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-[(carbamoylamino)methyl]benzamide
CID 78781645
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(tetrazol-1-yl)benzamide
CID 94058833
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-bromobenzamide
CID 8927969
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide
CID 22695827
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-6-carboxamide
CID 124847703

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide (CID 3701693) is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide is CC(C)C(NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide?
The InChIKey is FTBYVQFJHLESQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-11(2)16(17-20-14-5-3-4-6-15(14)21-17)22-18(23)12-7-9-13(19)10-8-12/h3-11,16H,1-2H3,(H,20,21)(H,22,23).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide has a molecular weight of 327.81 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide is sourced from PubChem (CID 3701693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).